1-[1-(1-benzyltetrazol-5-yl)butyl]piperidine-4-carboxamide

C18H26N6O — CID 653622

IUPAC1-[1-(1-benzyltetrazol-5-yl)butyl]piperidine-4-carboxamide
SMILESCCCC(c1nnnn1Cc1ccccc1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C18H26N6O/c1-2-6-16(23-11-9-15(10-12-23)17(19)25)18-20-21-22-24(18)13-14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-13H2,1H3,(H2,19,25)
InChIKeyPCICGAJQWRKGEH-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.76
Rot. Bonds7

About 1-[1-(1-benzyltetrazol-5-yl)butyl]piperidine-4-carboxamide

1-[1-(1-benzyltetrazol-5-yl)butyl]piperidine-4-carboxamide (PubChem CID 653622) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 1-[1-(1-benzyltetrazol-5-yl)butyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(1-benzyltetrazol-5-yl)butyl]piperidine-4-carboxamide
PubChem CID653622
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name1-[1-(1-benzyltetrazol-5-yl)butyl]piperidine-4-carboxamide
SMILESCCCC(c1nnnn1Cc1ccccc1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C18H26N6O/c1-2-6-16(23-11-9-15(10-12-23)17(19)25)18-20-21-22-24(18)13-14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-13H2,1H3,(H2,19,25)
InChIKeyPCICGAJQWRKGEH-UHFFFAOYSA-N
XLogP1.76
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide
CID 3210464
1-benzyl-4-[1-(1-benzyltetrazol-5-yl)butyl]piperazine
CID 3209635
1-[(R)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 1446198
1-[(1S)-1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]butyl]piperidine-4-carboxamide
CID 1448806
1-[(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 171668401
1-benzyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazine
CID 43812335
1-[3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide
CID 3210263
1-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide
CID 857808
[4-[(1S)-1-(1-benzyltetrazol-5-yl)pentyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 7396290
1-[(2-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 3210027
1-[(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 3209845
1-[(R)-(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 1446597

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzyltetrazol-5-yl)butyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(1-benzyltetrazol-5-yl)butyl]piperidine-4-carboxamide (CID 653622) is 1-[1-(1-benzyltetrazol-5-yl)butyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(1-benzyltetrazol-5-yl)butyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(1-benzyltetrazol-5-yl)butyl]piperidine-4-carboxamide is CCCC(c1nnnn1Cc1ccccc1)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[1-(1-benzyltetrazol-5-yl)butyl]piperidine-4-carboxamide?
The InChIKey is PCICGAJQWRKGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-2-6-16(23-11-9-15(10-12-23)17(19)25)18-20-21-22-24(18)13-14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-13H2,1H3,(H2,19,25).
What are the key properties of 1-[1-(1-benzyltetrazol-5-yl)butyl]piperidine-4-carboxamide?
1-[1-(1-benzyltetrazol-5-yl)butyl]piperidine-4-carboxamide has a molecular weight of 342.45 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzyltetrazol-5-yl)butyl]piperidine-4-carboxamide is sourced from PubChem (CID 653622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).